3-(methoxymethyl)pyrrolidine-3-carbonitrile

C7H12N2O — CID 165463809

IUPAC3-(methoxymethyl)pyrrolidine-3-carbonitrile
SMILESCOCC1(C#N)CCNC1
InChIInChI=1S/C7H12N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-3,5-6H2,1H3
InChIKeyRGACVHMPBVYHKC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.14
Rot. Bonds2

About 3-(methoxymethyl)pyrrolidine-3-carbonitrile

3-(methoxymethyl)pyrrolidine-3-carbonitrile (PubChem CID 165463809) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-3-carbonitrile
PubChem CID165463809
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(methoxymethyl)pyrrolidine-3-carbonitrile
SMILESCOCC1(C#N)CCNC1
InChIInChI=1S/C7H12N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-3,5-6H2,1H3
InChIKeyRGACVHMPBVYHKC-UHFFFAOYSA-N
XLogP0.14
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbonitrile (CID 165463809) is 3-(methoxymethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-3-carbonitrile is COCC1(C#N)CCNC1.
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-3-carbonitrile?
The InChIKey is RGACVHMPBVYHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-3,5-6H2,1H3.
What are the key properties of 3-(methoxymethyl)pyrrolidine-3-carbonitrile?
3-(methoxymethyl)pyrrolidine-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 165463809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).